Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL28688239

CCOC(=O)C1CCC(N=[N+]=[N-])C(NC(=O)OC(C)(C)C)C1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.38

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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 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BTK Q06187 1/20 0.34
▸ MAOB P27338 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ CTSL P07711 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16071863 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRBTK
SCHEMBL13618931 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRBTK
SCHEMBL29385715 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRBTK
SCHEMBL13618932 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRBTK
SCHEMBL19009054 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRBTK
SCHEMBL13618996 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRBTK
Cadaverine Tartrate SCHEMBL28701187 0.83 CPB1 (0.44) ALDH1A1TSHRCTSL
SCHEMBL19783843 0.81 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL13618972 0.81 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL13748220 0.81 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028491-B Fibroblast growth factor receptor inhibitors 缆图药品公司 2022-02-11 — — CN disclosed
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