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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRM8 | O00222 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 SCHEMBL11355479 | 1.00 | GRM2 (0.35) | GRM2HTTEPHX2CYP3A4CYP2C9 | |
| SCHEMBL11261562 | 0.87 | HTT (0.37) | GRM2HTTKMT2A | |
| SCHEMBL11261541 | 0.87 | HTT (0.37) | GRM2HTTKMT2A | |
| Hydrochloric Acid SCHEMBL11261312 | 0.86 | HTT (0.36) | HTTKMT2A | |
| Hydrochloric Acid SCHEMBL11261315 | 0.86 | HTT (0.36) | HTTKMT2A | |
| SCHEMBL11267573 | 0.72 | EPHX2 (0.39) | EPHX2KMT2A | |
| SCHEMBL11264043 | 0.72 | EPHX2 (0.39) | EPHX2KMT2A | |
| Hydrochloric Acid SCHEMBL11264129 | 0.71 | XIAP (0.40) | EPHX2KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL11264132 | 0.71 | XIAP (0.40) | EPHX2KMT2AMAPK1 | |
| SCHEMBL11260258 | 0.71 | SMYD3 (0.36) | HTTEPHX2GAAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315006-A | Benzoxocin derivatives having anxiolytic and anti-convulsant activities | GLAXO GROUP LIMITED (GB) | 1982-02-09 | — | — | US | disclosed |
| EP-0024843-A1 | 3,4,5,6-Tetrahydro-2,6-methano-4 beta-amino-1-benzoxocin derivatives, process for their preparation and compositions containing them | GLAXO GROUP LIMITED (GB) | 1981-03-11 | — | — | EP | disclosed |