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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7238753 | 0.81 | APLNR (0.32) | CYP2C19 | |
| SCHEMBL7238749 | 0.81 | APLNR (0.32) | CYP2C19 | |
| SCHEMBL2208896 | 0.81 | APLNR (0.32) | CYP2C19 | |
| Hydrochloric Acid SCHEMBL4093852 | 0.79 | THRB (0.32) | — | |
| Hydrochloric Acid SCHEMBL4413762 | 0.79 | THRB (0.32) | — | |
| Cadaverine Tartrate SCHEMBL5874760 | 0.70 | TSHR (0.56) | TSHRNFKB1CYP2C19 | |
| Cadaverine Tartrate SCHEMBL5874765 | 0.70 | TSHR (0.56) | TSHRNFKB1CYP2C19 | |
| SCHEMBL7234181 | 0.63 | — | — | |
| SCHEMBL3935289 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4415134 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1206443-A2 | PROCESS FOR PREPARING (-)-(1S,4R) N-PROTECTED 4-AMINO-2-CYCLOPENTENE-1-CARBOXYLATE ESTERS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001001569-A2 | PROCESS FOR PREPARING (-)-(1S,4R) N-PROTECTED 4-AMINO-2-CYCLOPENTENE-1-CARBOXYLATE ESTERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-01-04 | — | — | WO | disclosed |