Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 5/20 | 0.50 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cadaverine Tartrate SCHEMBL8712134 | 1.00 | ATM (0.57) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL7347831 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL8910000 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL22305235 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL8909987 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL2059435 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL31506428 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| SCHEMBL5541452 | 0.95 | ATM (0.61) | ATMAPPKLK5CTSSCTSK | |
| Oxalic Acid SCHEMBL7207478 | 0.93 | ATM (0.59) | ATMAPPKLK5CTSSCTSK | |
| Oxalic Acid SCHEMBL8716603 | 0.93 | ATM (0.59) | ATMAPPKLK5CTSSCTSK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0916646-B1 | Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LAB (US) | 2003-05-02 | — | — | EP | disclosed |
| EP-0724563-B1 | Intermediates for the preparation of a substituted 2,5-diamino-3-hydroxyhexane. | ABBOTT LAB (US) | 1999-09-01 | — | — | EP | disclosed |
| EP-0916646-A2 | Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1999-05-19 | — | — | EP | disclosed |
| US-5654466-A | Process for the preparation of a disubstituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1997-08-05 | — | — | US | disclosed |
| US-5625092-A | Process for the preparation of a substituted 2.5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1997-04-29 | — | — | US | disclosed |
| US-5616776-A | Process for the preparation of a substituted 2.5-diamono-3-hydroxy-hexane | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |
| US-5569777-A | Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-10-29 | — | — | US | disclosed |
| US-5565604-A | Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0724563-A1 | PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE | ABBOTT LABORATORIES (US) | 1996-08-07 | — | — | EP | disclosed |
| US-5543549-A | Process for the preparation of a substituted 2,5-Diamino-3-Hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-08-06 | — | — | US | disclosed |
| US-5543551-A | Process for the preparation of a substituted 2.5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-08-06 | — | — | US | disclosed |
| US-5543552-A | Process for the prepartation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-08-06 | — | — | US | disclosed |
| US-5541328-A | Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5508409-A | Process for the preparation of a substituted 2.5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-04-16 | — | — | US | disclosed |
| US-5491253-A | Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1996-02-13 | — | — | US | disclosed |
| WO-1995011224-A1 | PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE | ABBOTT LABORATORIES (US) | 1995-04-27 | — | — | WO | disclosed |